Information card for entry 4084432

Structure parameters

• Formula: C25 H29 F6 P Ru Si2
• Calculated formula: C25 H29 F6 P Ru Si2
• Title of publication: Complexation of the (η5-Cp)Ru+and (η5-Cp*)Ru+Arenophiles on Alkynylnaphthalene: Solvent Effect on the Regioselectivity and the Haptotropic Rearrangement
• Authors of publication: Makhoul, Rim; Shaw-Taberlet, Jennifer A.; Sahnoune, Hiba; Dorcet, Vincent; Kahlal, Samia; Halet, Jean-François; Hamon, Jean-René; Lapinte, Claude
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6023
• a: 16.0276 ± 0.0003 Å
• b: 18.0936 ± 0.0005 Å
• c: 19.4178 ± 0.0005 Å
• α: 90°
• β: 99.298 ± 0.001°
• γ: 90°
• Cell volume: 5557.1 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0717
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No